CID 28581421

2-chloro-n-[2-(morpholin-4-yl)ethyl]aniline

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
C1COCCN1CCNC2=CC=CC=C2Cl
InChI
InChI=1S/C12H17ClN2O/c13-11-3-1-2-4-12(11)14-5-6-15-7-9-16-10-8-15/h1-4,14H,5-10H2
InChIKey
GYOPGWDIAZHFQJ-UHFFFAOYSA-N
Compound name
2-chloro-N-(2-morpholin-4-ylethyl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.11022 154.4
[M+Na]+ 263.09216 159.6
[M-H]- 239.09566 159.0
[M+NH4]+ 258.13676 169.4
[M+K]+ 279.06610 156.2
[M+H-H2O]+ 223.10020 146.4
[M+HCOO]- 285.10114 169.4
[M+CH3COO]- 299.11679 191.4
[M+Na-2H]- 261.07761 160.3
[M]+ 240.10239 152.7
[M]- 240.10349 152.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.